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  1. reaction_prediction_seq2seq reaction_prediction_seq2seq Public

    Python 66 24

  2. vs-utils vs-utils Public

    Virtual screening and cheminformatics utilities

    Python 14 11

  3. IRMSD IRMSD Public

    Forked from ihaque/IRMSD

    Fast SSE2/SSE3-based code for structural RMSD computation

    C++ 12 4

  4. msmexplorer msmexplorer Public

    Forked from brycecr/msmexplorer

    MSMExplorer is a visualization system for markov state models for protein folding networks

    Java 6 3

  5. AMBER-FB15 AMBER-FB15 Public

    AMBER-FB15 force field parameters, conversion scripts and validation

    Python 5 2

  6. msmaccelerator msmaccelerator Public

    Python 4 1

Repositories

Showing 10 of 20 repositories
  • reaction_prediction_seq2seq Public
    pandegroup/reaction_prediction_seq2seq’s past year of commit activity
    Python 66 Apache-2.0 24 3 1 Updated Jan 29, 2020
  • AMBER-FB15 Public

    AMBER-FB15 force field parameters, conversion scripts and validation

    pandegroup/AMBER-FB15’s past year of commit activity
    Python 5 2 0 0 Updated Feb 18, 2019
  • deepchem_enf Public Forked from deepchem/deepchem

    Deep-learning models for Drug Discovery and Quantum Chemistry

    pandegroup/deepchem_enf’s past year of commit activity
    Python 1 LGPL-3.0 1,717 0 0 Updated Jul 9, 2017
  • nmp_qc Public Forked from priba/nmp_qc

    Neural Message Passing for Computer Vision

    pandegroup/nmp_qc’s past year of commit activity
    Python 0 MIT 81 0 0 Updated May 29, 2017
  • voxel-dcgan Public Forked from maxorange/voxel-dcgan

    A deep generative model of 3D volumetric shapes

    pandegroup/voxel-dcgan’s past year of commit activity
    Python 0 MIT 34 0 0 Updated May 17, 2017
  • DCGAN-tensorflow Public Forked from carpedm20/DCGAN-tensorflow

    A tensorflow implementation of "Deep Convolutional Generative Adversarial Networks"

    pandegroup/DCGAN-tensorflow’s past year of commit activity
    Jupyter Notebook 2 MIT 2,656 0 0 Updated May 12, 2017
  • gb-fb15 Public

    For the MD simulation of liquid-crystalline DPPC bilayers.

    pandegroup/gb-fb15’s past year of commit activity
    Python 3 MIT 2 0 0 Updated May 1, 2017
  • StackGAN Public Forked from hanzhanggit/StackGAN
    pandegroup/StackGAN’s past year of commit activity
    Python 1 MIT 462 0 0 Updated Feb 20, 2017
  • msmbuilder Public Forked from msmbuilder/msmbuilder

    Statistical models for biomolecular dynamics

    pandegroup/msmbuilder’s past year of commit activity
    Python 0 LGPL-2.1 95 0 0 Updated Oct 20, 2016
  • scissors Public

    SCISSORS Calculates Interpolated Shape Signatures over Rapid Overlay of Chemical Structures (ROCS) Space

    pandegroup/scissors’s past year of commit activity
    Python 3 LGPL-3.0 0 0 0 Updated Jun 15, 2016
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